(-)-N-porphynorapomorphine
SMILES | CCCN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O |
InChIKey | BTGAJCKRXPNBFI-OAHLLOKOSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 2 |
Rotatable bonds | 2 |
Molecular weight (Da) | 295.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D1 | DRD1 | Rat | Dopamine | A | pKi | 5.47 | 6.2 | 6.47 | ChEMBL |
D2 | DRD2 | Rat | Dopamine | A | pKi | 7.27 | 8.77 | 9.74 | ChEMBL |
D2 | DRD2 | Rat | Dopamine | A | pKd | 6.28 | 7.04 | 8.05 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pKd | 5.74 | 5.74 | 5.74 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pKi | 5.82 | 7.04 | 9.0 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.72 | 8.94 | 9.36 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 7.3 | 8.97 | 10.13 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKd | 7.7 | 7.7 | 7.7 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 9.92 | 9.92 | 9.92 | PDSP Ki database |
D2 | DRD2 | Human | Dopamine | A | pKi | 7.5 | 8.2 | 8.9 | Guide to Pharmacology |
D3 | DRD3 | Human | Dopamine | A | pKi | 9.68 | 9.68 | 9.68 | PDSP Ki database |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.4 | 8.55 | 8.7 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D1 | DRD1 | Rat | Dopamine | A | pIC50 | 6.19 | 6.19 | 6.19 | ChEMBL |
D2 | DRD2 | Rat | Dopamine | A | pIC50 | 8.0 | 8.16 | 8.32 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pEC50 | 5.72 | 7.34 | 8.96 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pEC50 | 7.6 | 9.25 | 10.4 | ChEMBL |